BDBM50191902 CHEMBL214073::isoquinoline-1-carboxylic acid {(R)-4-[((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-methyl]-1,1,5-trioxo-1lambda*6*-[1,4]thiazepan-6-yl}-amide

SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2nccc3ccccc23)C1=O

InChI Key InChIKey=ANODMOSBERNBFW-CJUKTHODSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50191902   

TargetCaspase-8(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191902(CHEMBL214073 | isoquinoline-1-carboxylic acid {(R)...)
Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of Caspase 8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191902(CHEMBL214073 | isoquinoline-1-carboxylic acid {(R)...)
Affinity DataIC50:  130nMAssay Description:Inhibition of ICEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191902(CHEMBL214073 | isoquinoline-1-carboxylic acid {(R)...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed